3-bromo-2-(2-thiophen-3-ylethynyl)thiophene

C10H5BrS2 — CID 71425481

IUPAC3-bromo-2-(2-thiophen-3-ylethynyl)thiophene
SMILESBrc1ccsc1C#Cc1ccsc1
InChIInChI=1S/C10H5BrS2/c11-9-4-6-13-10(9)2-1-8-3-5-12-7-8/h3-7H
InChIKeyWZNFXNGSDNUBAD-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.97
Rot. Bonds

About 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene

3-bromo-2-(2-thiophen-3-ylethynyl)thiophene (PubChem CID 71425481) has the molecular formula C10H5BrS2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(2-thiophen-3-ylethynyl)thiophene
PubChem CID71425481
Molecular FormulaC10H5BrS2
Molecular Weight269.19 g/mol
Exact Mass267.90
IUPAC Name3-bromo-2-(2-thiophen-3-ylethynyl)thiophene
SMILESBrc1ccsc1C#Cc1ccsc1
InChIInChI=1S/C10H5BrS2/c11-9-4-6-13-10(9)2-1-8-3-5-12-7-8/h3-7H
InChIKeyWZNFXNGSDNUBAD-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene?
The IUPAC name of 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene (CID 71425481) is 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene.
What is the SMILES notation for 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene?
The canonical SMILES for 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene is Brc1ccsc1C#Cc1ccsc1.
What is the InChIKey of 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene?
The InChIKey is WZNFXNGSDNUBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrS2/c11-9-4-6-13-10(9)2-1-8-3-5-12-7-8/h3-7H.
What are the key properties of 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene?
3-bromo-2-(2-thiophen-3-ylethynyl)thiophene has a molecular weight of 269.19 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-thiophen-3-ylethynyl)thiophene is sourced from PubChem (CID 71425481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).